SCHEMBL17896141

SCHEMBL17896141

CC=CCC(N=C(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.43
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.35
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
PGR P06401 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35
HDAC3 O15379 1/20 0.35
AKT1 P31749 2/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17896140 1.00 AAK1 (0.43) AAK1ALDH1A1TSHRGRIK1GRIK2
SCHEMBL17902787 0.82 AAK1 (0.64) AAK1ALDH1A1TSHRPPARGPPARA
SCHEMBL5779986 0.81 CYP2C19 (0.49) AAK1ALDH1A1TSHRAKT1CES1
SCHEMBL5779979 0.81 CYP2C19 (0.49) AAK1ALDH1A1TSHRAKT1CES1
SCHEMBL5779984 0.81 CYP2C19 (0.49) AAK1ALDH1A1TSHRAKT1CES1
SCHEMBL381892 0.78 AAK1 (0.48) AAK1ALDH1A1TSHRPGRADRA2A
SCHEMBL16119517 0.76 AAK1 (0.47) AAK1ALDH1A1TSHRPGRADRA2A
SCHEMBL14879812 0.76 AAK1 (0.47) AAK1ALDH1A1TSHRPGRADRA2A
SCHEMBL14879975 0.76 TSHR (0.53) AAK1ALDH1A1TSHRHDAC3LMNA
SCHEMBL16119509 0.76 TSHR (0.53) AAK1ALDH1A1TSHRHDAC3LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240777-B1 ARGINASE INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS ONCOARENDI THERAPEUTICS SA (PL) 2019-07-24 EP disclosed
US-10329310-B2 Arginase inhibitors and their therapeutic applications ONCO ARENDI THERAPEUTICS S.A. (PL) 2019-06-25 US disclosed
US-20180009830-A1 ARGINASE INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS ONCO ARENDI THERAPEUTICS S.A. (PL) 2018-01-11 US disclosed
EP-3240777-A1 ARGINASE INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS ONCOARENDI THERAPEUTICS S.A. (PL) 2017-11-08 EP disclosed
WO-2016108707-A1 ARGINASE INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS OncoArendi Therapeutics Sp. z o.o. (PL) 2016-07-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180009830-A1 ARGINASE INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT1 AAK1 1908/4885ALDH1A1 607/4885TSHR 1897/4885
US-10329310-B2 Arginase inhibitors and their therapeutic applications ARG1, ARG2, PRMT1 AAK1 1908/4885ALDH1A1 607/4885TSHR 1897/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.